N-(pentoxycarbamoyl)-N-phenylformamide

C13H18N2O3 — CID 175086936

IUPACN-(pentoxycarbamoyl)-N-phenylformamide
SMILESCCCCCONC(=O)N(C=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-3-7-10-18-14-13(17)15(11-16)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,14,17)
InChIKeyMBTWVCNHIPEWJA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.48
Rot. Bonds7

About N-(pentoxycarbamoyl)-N-phenylformamide

N-(pentoxycarbamoyl)-N-phenylformamide (PubChem CID 175086936) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(pentoxycarbamoyl)-N-phenylformamide.

Molecular Properties

Compound NameN-(pentoxycarbamoyl)-N-phenylformamide
PubChem CID175086936
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(pentoxycarbamoyl)-N-phenylformamide
SMILESCCCCCONC(=O)N(C=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-3-7-10-18-14-13(17)15(11-16)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,14,17)
InChIKeyMBTWVCNHIPEWJA-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxy-3-phenylurea
CID 5118367
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
octyl N-amino-N-phenylcarbamate
CID 174873425
hexyl N-[(N-hexoxycarbonylanilino)methyl]-N-phenylcarbamate
CID 91468455
N-(3-phenylpropoxy)heptanamide
CID 139933276
3-ethoxy-1,1-diphenylurea
CID 162373128
1-butoxy-3-phenylurea
CID 4061845
pentyl N-phenoxycarbamate
CID 175308591
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
1-(2-methylphenyl)-3-octoxyurea
CID 18807522
4-(N-tetradecoxyanilino)benzamide
CID 174322917
2-(N-octoxyanilino)acetic acid
CID 54571565

Frequently Asked Questions

What is the IUPAC name of N-(pentoxycarbamoyl)-N-phenylformamide?
The IUPAC name of N-(pentoxycarbamoyl)-N-phenylformamide (CID 175086936) is N-(pentoxycarbamoyl)-N-phenylformamide.
What is the SMILES notation for N-(pentoxycarbamoyl)-N-phenylformamide?
The canonical SMILES for N-(pentoxycarbamoyl)-N-phenylformamide is CCCCCONC(=O)N(C=O)c1ccccc1.
What is the InChIKey of N-(pentoxycarbamoyl)-N-phenylformamide?
The InChIKey is MBTWVCNHIPEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-7-10-18-14-13(17)15(11-16)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,14,17).
What are the key properties of N-(pentoxycarbamoyl)-N-phenylformamide?
N-(pentoxycarbamoyl)-N-phenylformamide has a molecular weight of 250.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentoxycarbamoyl)-N-phenylformamide is sourced from PubChem (CID 175086936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).