N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide

C14H21N3O3 — CID 39185870

IUPACN-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(OC)c(NC(=O)CN)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-13(18)16-10-6-7-12(20-2)11(8-10)17-14(19)9-15/h6-8H,3-5,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCSWDGPAWTXHMDR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds7

About N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide

N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide (PubChem CID 39185870) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
PubChem CID39185870
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(OC)c(NC(=O)CN)c1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-13(18)16-10-6-7-12(20-2)11(8-10)17-14(19)9-15/h6-8H,3-5,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCSWDGPAWTXHMDR-UHFFFAOYSA-N
XLogP1.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
CID 168607043
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902
N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
CID 50973633
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide (CID 39185870) is N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide is CCCCC(=O)Nc1ccc(OC)c(NC(=O)CN)c1.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide?
The InChIKey is CSWDGPAWTXHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-5-13(18)16-10-6-7-12(20-2)11(8-10)17-14(19)9-15/h6-8H,3-5,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide?
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide has a molecular weight of 279.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide is sourced from PubChem (CID 39185870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).