N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide

C12H17N3O3 — CID 39184528

IUPACN-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN)cc1OC
InChIInChI=1S/C12H17N3O3/c1-3-11(16)15-9-5-4-8(6-10(9)18-2)14-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWDGCLJJROJNDKK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.94
Rot. Bonds5

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

N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide (PubChem CID 39184528) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
PubChem CID39184528
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN)cc1OC
InChIInChI=1S/C12H17N3O3/c1-3-11(16)15-9-5-4-8(6-10(9)18-2)14-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWDGCLJJROJNDKK-UHFFFAOYSA-N
XLogP0.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 39184620
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide (CID 39184528) is N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CN)cc1OC.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide?
The InChIKey is WDGCLJJROJNDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-11(16)15-9-5-4-8(6-10(9)18-2)14-12(17)7-13/h4-6H,3,7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide?
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide is sourced from PubChem (CID 39184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).