N-phenyl-N-propylformamide

C10H13NO — CID 19362602

IUPACN-phenyl-N-propylformamide
SMILESCCCN(C=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11(9-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyGBMOSLQRNOUWMA-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.06
Rot. Bonds4

About N-phenyl-N-propylformamide

N-phenyl-N-propylformamide (PubChem CID 19362602) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-phenyl-N-propylformamide.

Molecular Properties

Compound NameN-phenyl-N-propylformamide
PubChem CID19362602
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-phenyl-N-propylformamide
SMILESCCCN(C=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11(9-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyGBMOSLQRNOUWMA-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-N-phenylformamide
CID 71419889
N,N-dipropylaniline;ethane
CID 142135231
N-formyl-N-(N-pentylanilino)formamide
CID 174978082
N-phenyl-N-(sulfamoylmethyl)formamide
CID 173195449
N-butyl-N-phenylmethaneselenoamide
CID 10490195
N,N-dibutylformamide;N-methyl-N-phenylformamide
CID 23174930
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
N-(furan-2-yl)-N-propylformamide
CID 57022982
acetaldehyde;N,N-dimethylaniline
CID 158535205
N-phenyl-N-(pyridin-2-ylmethyl)formamide
CID 59806637
N-(2-aminoethyl)-N-(4-methylphenyl)formamide
CID 82503582
1-methyl-1-phenyl-3,3-dipropylurea
CID 20524964

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propylformamide?
The IUPAC name of N-phenyl-N-propylformamide (CID 19362602) is N-phenyl-N-propylformamide.
What is the SMILES notation for N-phenyl-N-propylformamide?
The canonical SMILES for N-phenyl-N-propylformamide is CCCN(C=O)c1ccccc1.
What is the InChIKey of N-phenyl-N-propylformamide?
The InChIKey is GBMOSLQRNOUWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-11(9-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of N-phenyl-N-propylformamide?
N-phenyl-N-propylformamide has a molecular weight of 163.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propylformamide is sourced from PubChem (CID 19362602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).