4-[(2-aminoacetyl)amino]-N-ethylbutanamide

C8H17N3O2 — CID 138468390

IUPAC4-[(2-aminoacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)CCCNC(=O)CN
InChIInChI=1S/C8H17N3O2/c1-2-10-7(12)4-3-5-11-8(13)6-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyQUNUCZYYGIAEQK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds6

About 4-[(2-aminoacetyl)amino]-N-ethylbutanamide

4-[(2-aminoacetyl)amino]-N-ethylbutanamide (PubChem CID 138468390) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N-ethylbutanamide
PubChem CID138468390
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-[(2-aminoacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)CCCNC(=O)CN
InChIInChI=1S/C8H17N3O2/c1-2-10-7(12)4-3-5-11-8(13)6-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyQUNUCZYYGIAEQK-UHFFFAOYSA-N
XLogP-1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylnonanediamide
CID 89048639
5-acetamido-N-ethylpentanamide
CID 145189248
N'-ethylnonanediamide
CID 18377762
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
2-amino-N-ethylacetamide;hydroxy-methyl-oxophosphanium
CID 88711481
N'-ethyldodecanediamide
CID 175230920
2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate
CID 59935073
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
CID 91393325
2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
7-amino-N-butylheptanamide
CID 24689519
N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
CID 60843110

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N-ethylbutanamide?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N-ethylbutanamide (CID 138468390) is 4-[(2-aminoacetyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N-ethylbutanamide?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N-ethylbutanamide is CCNC(=O)CCCNC(=O)CN.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N-ethylbutanamide?
The InChIKey is QUNUCZYYGIAEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-10-7(12)4-3-5-11-8(13)6-9/h2-6,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 4-[(2-aminoacetyl)amino]-N-ethylbutanamide?
4-[(2-aminoacetyl)amino]-N-ethylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 138468390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).