N-(butanoylamino)-N-(2-methoxyphenyl)formamide

C12H16N2O3 — CID 151487237

IUPACN-(butanoylamino)-N-(2-methoxyphenyl)formamide
SMILESCCCC(=O)NN(C=O)c1ccccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-6-12(16)13-14(9-15)10-7-4-5-8-11(10)17-2/h4-5,7-9H,3,6H2,1-2H3,(H,13,16)
InChIKeyPNSDXFOXXMGBEP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.49
Rot. Bonds6

About N-(butanoylamino)-N-(2-methoxyphenyl)formamide

N-(butanoylamino)-N-(2-methoxyphenyl)formamide (PubChem CID 151487237) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(butanoylamino)-N-(2-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(butanoylamino)-N-(2-methoxyphenyl)formamide
PubChem CID151487237
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(butanoylamino)-N-(2-methoxyphenyl)formamide
SMILESCCCC(=O)NN(C=O)c1ccccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-6-12(16)13-14(9-15)10-7-4-5-8-11(10)17-2/h4-5,7-9H,3,6H2,1-2H3,(H,13,16)
InChIKeyPNSDXFOXXMGBEP-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
CID 94262493
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of N-(butanoylamino)-N-(2-methoxyphenyl)formamide?
The IUPAC name of N-(butanoylamino)-N-(2-methoxyphenyl)formamide (CID 151487237) is N-(butanoylamino)-N-(2-methoxyphenyl)formamide.
What is the SMILES notation for N-(butanoylamino)-N-(2-methoxyphenyl)formamide?
The canonical SMILES for N-(butanoylamino)-N-(2-methoxyphenyl)formamide is CCCC(=O)NN(C=O)c1ccccc1OC.
What is the InChIKey of N-(butanoylamino)-N-(2-methoxyphenyl)formamide?
The InChIKey is PNSDXFOXXMGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-6-12(16)13-14(9-15)10-7-4-5-8-11(10)17-2/h4-5,7-9H,3,6H2,1-2H3,(H,13,16).
What are the key properties of N-(butanoylamino)-N-(2-methoxyphenyl)formamide?
N-(butanoylamino)-N-(2-methoxyphenyl)formamide has a molecular weight of 236.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butanoylamino)-N-(2-methoxyphenyl)formamide is sourced from PubChem (CID 151487237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).