(1-anilino-1-oxohexan-2-yl) carbamate

C13H18N2O3 — CID 175484349

IUPAC(1-anilino-1-oxohexan-2-yl) carbamate
SMILESCCCCC(OC(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-3-9-11(18-13(14)17)12(16)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyPNQWYMJNWWZDED-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.28
Rot. Bonds6

About (1-anilino-1-oxohexan-2-yl) carbamate

(1-anilino-1-oxohexan-2-yl) carbamate (PubChem CID 175484349) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1-anilino-1-oxohexan-2-yl) carbamate.

Molecular Properties

Compound Name(1-anilino-1-oxohexan-2-yl) carbamate
PubChem CID175484349
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(1-anilino-1-oxohexan-2-yl) carbamate
SMILESCCCCC(OC(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-3-9-11(18-13(14)17)12(16)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyPNQWYMJNWWZDED-UHFFFAOYSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
2-phenoxy-N-phenylhexanamide
CID 70624716
2-butoxy-N-phenyldodecanamide
CID 70626065
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate
CID 175536657
2-methyl-N-phenylpentanamide
CID 4627801
2-tert-butyl-N-phenylheptanamide
CID 67683128
[1-oxo-1-(propan-2-ylamino)hexan-2-yl] benzoate
CID 12066050
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
2-bromo-N-phenylpentanamide
CID 56980184
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxohexan-2-yl) carbamate?
The IUPAC name of (1-anilino-1-oxohexan-2-yl) carbamate (CID 175484349) is (1-anilino-1-oxohexan-2-yl) carbamate.
What is the SMILES notation for (1-anilino-1-oxohexan-2-yl) carbamate?
The canonical SMILES for (1-anilino-1-oxohexan-2-yl) carbamate is CCCCC(OC(N)=O)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxohexan-2-yl) carbamate?
The InChIKey is PNQWYMJNWWZDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-9-11(18-13(14)17)12(16)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of (1-anilino-1-oxohexan-2-yl) carbamate?
(1-anilino-1-oxohexan-2-yl) carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxohexan-2-yl) carbamate is sourced from PubChem (CID 175484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).