benzyl N-propanoyl-N-(propylamino)carbamate

C14H20N2O3 — CID 150228414

IUPACbenzyl N-propanoyl-N-(propylamino)carbamate
SMILESCCCNN(C(=O)CC)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-10-15-16(13(17)4-2)14(18)19-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyFUYNDAFDIHUXHR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds6

About benzyl N-propanoyl-N-(propylamino)carbamate

benzyl N-propanoyl-N-(propylamino)carbamate (PubChem CID 150228414) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-propanoyl-N-(propylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-propanoyl-N-(propylamino)carbamate
PubChem CID150228414
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-propanoyl-N-(propylamino)carbamate
SMILESCCCNN(C(=O)CC)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-10-15-16(13(17)4-2)14(18)19-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyFUYNDAFDIHUXHR-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-ethyl-N-propylcarbamate
CID 126656974
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-amino-N-phenylcarbamate
CID 54267520
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
2-[phenylmethoxycarbonyl(phosphonomethyl)amino]butanoic acid;dihydrochloride
CID 70582118

Frequently Asked Questions

What is the IUPAC name of benzyl N-propanoyl-N-(propylamino)carbamate?
The IUPAC name of benzyl N-propanoyl-N-(propylamino)carbamate (CID 150228414) is benzyl N-propanoyl-N-(propylamino)carbamate.
What is the SMILES notation for benzyl N-propanoyl-N-(propylamino)carbamate?
The canonical SMILES for benzyl N-propanoyl-N-(propylamino)carbamate is CCCNN(C(=O)CC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-propanoyl-N-(propylamino)carbamate?
The InChIKey is FUYNDAFDIHUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-15-16(13(17)4-2)14(18)19-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3.
What are the key properties of benzyl N-propanoyl-N-(propylamino)carbamate?
benzyl N-propanoyl-N-(propylamino)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-propanoyl-N-(propylamino)carbamate is sourced from PubChem (CID 150228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).