4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide

C17H26ClN3O3 — CID 155706657

IUPAC4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide
SMILESCNC(=O)CCCCc1cccc(OCC(N)CCC(N)=O)c1Cl
InChIInChI=1S/C17H26ClN3O3/c1-21-16(23)8-3-2-5-12-6-4-7-14(17(12)18)24-11-13(19)9-10-15(20)22/h4,6-7,13H,2-3,5,8-11,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyBKDCTWQBCUQDGS-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.77
Rot. Bonds11

About 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide

4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide (PubChem CID 155706657) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide.

Molecular Properties

Compound Name4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide
PubChem CID155706657
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide
SMILESCNC(=O)CCCCc1cccc(OCC(N)CCC(N)=O)c1Cl
InChIInChI=1S/C17H26ClN3O3/c1-21-16(23)8-3-2-5-12-6-4-7-14(17(12)18)24-11-13(19)9-10-15(20)22/h4,6-7,13H,2-3,5,8-11,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyBKDCTWQBCUQDGS-UHFFFAOYSA-N
XLogP1.77
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-2-chlorophenyl]butanoate
CID 167550365
6-[5-(2,5-diamino-5-oxopentoxy)-2-fluorophenyl]-N-methylhexanamide
CID 155706907
(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide
CID 155190029
7-[2-chloro-3-(2-methylpropoxy)phenyl]heptan-2-one
CID 155188411
(2S,4S)-1-[2-[4-[2-chloro-3-(2,5-diamino-5-oxopentoxy)phenyl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 166748085
4-[3-[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]-2-chlorophenyl]-2-methylbutanoic acid
CID 175390800
5-[2-chloro-3-[4-(methylamino)-4-oxobutyl]phenoxy]-4-formamidopentanamide;2,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 155707180
N-[3-(4-amino-4-oxobutyl)-2-chlorophenyl]-2-(methylamino)pentanediamide
CID 155706863
3-[3-[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]-2-chlorophenyl]propyl 4-methylbenzenesulfonate
CID 166748027
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554
4-[2-(2-aminobutyl)-6-bromophenoxy]-N-methylbutanamide
CID 63890179
methyl 6-[3-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-2-chlorophenyl]hexanoate
CID 155189176

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide?
The IUPAC name of 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide (CID 155706657) is 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide.
What is the SMILES notation for 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide?
The canonical SMILES for 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide is CNC(=O)CCCCc1cccc(OCC(N)CCC(N)=O)c1Cl.
What is the InChIKey of 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide?
The InChIKey is BKDCTWQBCUQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-21-16(23)8-3-2-5-12-6-4-7-14(17(12)18)24-11-13(19)9-10-15(20)22/h4,6-7,13H,2-3,5,8-11,19H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide?
4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide has a molecular weight of 355.87 g/mol, XLogP of 1.77, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide is sourced from PubChem (CID 155706657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).