N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide

C10H15N3O — CID 66516552

IUPACN-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H](N)CN)c1
InChIInChI=1S/C10H15N3O/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-5,10H,6,11-12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyCEVWPUVLRMFDEX-SNVBAGLBSA-N
MW193.25 g/mol
LogP0.60
Rot. Bonds3

About N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide

N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide (PubChem CID 66516552) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
PubChem CID66516552
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H](N)CN)c1
InChIInChI=1S/C10H15N3O/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-5,10H,6,11-12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyCEVWPUVLRMFDEX-SNVBAGLBSA-N
XLogP0.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
CID 66510191
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
CID 66516971
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide (CID 66516552) is N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@H](N)CN)c1.
What is the InChIKey of N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide?
The InChIKey is CEVWPUVLRMFDEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(14)13-9-4-2-3-8(5-9)10(12)6-11/h2-5,10H,6,11-12H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide?
N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide is sourced from PubChem (CID 66516552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).