3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide

C19H28N4O5 — CID 59745848

IUPAC3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)Cc1ccc(CNC(=O)COCCCNC=O)cc1
InChIInChI=1S/C19H28N4O5/c1-20-17(25)7-9-22-18(26)11-15-3-5-16(6-4-15)12-23-19(27)13-28-10-2-8-21-14-24/h3-6,14H,2,7-13H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,23,27)
InChIKeyXRLNNAWHNWYGAB-UHFFFAOYSA-N
MW392.46 g/mol
LogP-0.75
Rot. Bonds14

About 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide

3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide (PubChem CID 59745848) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
PubChem CID59745848
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)Cc1ccc(CNC(=O)COCCCNC=O)cc1
InChIInChI=1S/C19H28N4O5/c1-20-17(25)7-9-22-18(26)11-15-3-5-16(6-4-15)12-23-19(27)13-28-10-2-8-21-14-24/h3-6,14H,2,7-13H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,23,27)
InChIKeyXRLNNAWHNWYGAB-UHFFFAOYSA-N
XLogP-0.75
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
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

4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
CID 59745815
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
4-[3-(benzylamino)propoxy]-N-methylbutanamide
CID 114782847
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
CID 75444272
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
CID 134579946
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
CID 108884490

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide (CID 59745848) is 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide is CNC(=O)CCNC(=O)Cc1ccc(CNC(=O)COCCCNC=O)cc1.
What is the InChIKey of 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide?
The InChIKey is XRLNNAWHNWYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-20-17(25)7-9-22-18(26)11-15-3-5-16(6-4-15)12-23-19(27)13-28-10-2-8-21-14-24/h3-6,14H,2,7-13H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,23,27).
What are the key properties of 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide?
3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide has a molecular weight of 392.46 g/mol, XLogP of -0.75, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 59745848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).