N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide

C10H19ClN2O2 — CID 43578807

IUPACN-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCCCCl
InChIInChI=1S/C10H19ClN2O2/c1-8(2)13(7-9(12)14)10(15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyYVPQRGNMSUEEKU-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.12
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide

N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide (PubChem CID 43578807) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
PubChem CID43578807
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC NameN-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCCCCl
InChIInChI=1S/C10H19ClN2O2/c1-8(2)13(7-9(12)14)10(15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyYVPQRGNMSUEEKU-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide, (S)-
CID 29938341
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-N-(6-chlorohexyl)pentanediamide
CID 10782980
2-[Pentyl(propanoyl)amino]butanamide
CID 11172228
N-[(1S)-1-(Aminocarbonyl)propyl]-4-chlorobutanamide
CID 21902118
2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide
CID 134870084
2-amino-N-(1-chloro-2-oxoheptan-3-yl)propanamide
CID 134891649
5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
CID 54875659
N-(2-chloroethyl)-2-(2-chloroethylamino)pentanamide;hydrochloride
CID 24197556
3-chloro-N-(1-methyl-2-oxoazepan-3-yl)propanamide
CID 53384991
Propanamide, 2-amino-3-chloro-N-pentyl-, (R)-
CID 15235434
2-amino-3-chloro-N-pentylpropanamide
CID 18966849
2-[4-Chloropentyl(ethyl)amino]acetamide
CID 20341494

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide (CID 43578807) is N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide is CC(C)N(CC(N)=O)C(=O)CCCCCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide?
The InChIKey is YVPQRGNMSUEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-8(2)13(7-9(12)14)10(15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide?
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide has a molecular weight of 234.73 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide is sourced from PubChem (CID 43578807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).