2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide

C24H39ClN4O4 — CID 143168843

IUPAC2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
SMILESCCNC(=O)CN(C)C(=O)C(NCCOc1cc(Cl)ccc1CCCNC=O)C(CC)CC
InChIInChI=1S/C24H39ClN4O4/c1-5-18(6-2)23(24(32)29(4)16-22(31)27-7-3)28-13-14-33-21-15-20(25)11-10-19(21)9-8-12-26-17-30/h10-11,15,17-18,23,28H,5-9,12-14,16H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyUPOJWFCYIARPLS-UHFFFAOYSA-N
MW483.05 g/mol
LogP2.39
Rot. Bonds17

About 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide

2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide (PubChem CID 143168843) has the molecular formula C24H39ClN4O4 and a molecular weight of 483.05 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
PubChem CID143168843
Molecular FormulaC24H39ClN4O4
Molecular Weight483.05 g/mol
Exact Mass482.27
IUPAC Name2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
SMILESCCNC(=O)CN(C)C(=O)C(NCCOc1cc(Cl)ccc1CCCNC=O)C(CC)CC
InChIInChI=1S/C24H39ClN4O4/c1-5-18(6-2)23(24(32)29(4)16-22(31)27-7-3)28-13-14-33-21-15-20(25)11-10-19(21)9-8-12-26-17-30/h10-11,15,17-18,23,28H,5-9,12-14,16H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyUPOJWFCYIARPLS-UHFFFAOYSA-N
XLogP2.39
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.05
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-(ethylamino)-2-oxoethyl]-2-[2-[2-(3-formamidopropyl)phenoxy]ethylamino]-N,3-dimethylbutanamide;(6E)-3-fluoroocta-1,6-diene
CID 143168627
2-[2-[5-fluoro-2-[3-(methylamino)propyl]phenoxy]ethylamino]-N,3-dimethyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]hexanamide
CID 143168489
2-[2-(5-chloro-2-ethylphenoxy)ethylamino]-N,3-dimethyl-N-(2-oxoethyl)pentanamide;ethane;1-ethyl-4-methylbenzene;N-methyl-2-(methylamino)acetamide
CID 143168602
(tetramethyl-λ5-phosphanyl) (2S)-2-[2-[5-chloro-2-[3-(dimethylphosphanylmethylamino)propyl]phenoxy]ethylamino]-2-cyclopropylacetate
CID 70987612
4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 55368591
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide
CID 123292467
2-chloro-1-ethyl-4-methylbenzene;2-cyclopropyl-N-methyl-2-[2-[2-[3-[[2-(methylamino)acetyl]amino]propyl]phenoxy]ethylamino]-N-(2-oxoethyl)acetamide
CID 143168517
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
1-chloro-4-methylbenzene;formamide;2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide
CID 143377127
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 30168127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide (CID 143168843) is 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide is CCNC(=O)CN(C)C(=O)C(NCCOc1cc(Cl)ccc1CCCNC=O)C(CC)CC.
What is the InChIKey of 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is UPOJWFCYIARPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN4O4/c1-5-18(6-2)23(24(32)29(4)16-22(31)27-7-3)28-13-14-33-21-15-20(25)11-10-19(21)9-8-12-26-17-30/h10-11,15,17-18,23,28H,5-9,12-14,16H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide?
2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 483.05 g/mol, XLogP of 2.39, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-(3-formamidopropyl)phenoxy]ethylamino]-3-ethyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 143168843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).