acetyl(pentyl)carbamic acid

C8H15NO3 — CID 87957714

IUPACacetyl(pentyl)carbamic acid
SMILESCCCCCN(C(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-9(7(2)10)8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyHZAUWZOSEKPSAL-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.70
Rot. Bonds4

About acetyl(pentyl)carbamic acid

acetyl(pentyl)carbamic acid (PubChem CID 87957714) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is acetyl(pentyl)carbamic acid.

Molecular Properties

Compound Nameacetyl(pentyl)carbamic acid
PubChem CID87957714
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameacetyl(pentyl)carbamic acid
SMILESCCCCCN(C(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-9(7(2)10)8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyHZAUWZOSEKPSAL-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-N-decylacetamide
CID 57029087
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
N,N-di(pentadecyl)acetamide
CID 174726671
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(icosyl)acetamide
CID 57063838
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
hexadecyl(methyl)carbamic acid
CID 15173799
N-butyl-N-heptylacetamide
CID 91713167
N-decyl-N-methylacetamide
CID 22114742
N-heptyl-N-hydroxyacetamide
CID 71399613

Frequently Asked Questions

What is the IUPAC name of acetyl(pentyl)carbamic acid?
The IUPAC name of acetyl(pentyl)carbamic acid (CID 87957714) is acetyl(pentyl)carbamic acid.
What is the SMILES notation for acetyl(pentyl)carbamic acid?
The canonical SMILES for acetyl(pentyl)carbamic acid is CCCCCN(C(C)=O)C(=O)O.
What is the InChIKey of acetyl(pentyl)carbamic acid?
The InChIKey is HZAUWZOSEKPSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-6-9(7(2)10)8(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of acetyl(pentyl)carbamic acid?
acetyl(pentyl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(pentyl)carbamic acid is sourced from PubChem (CID 87957714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).