N-[4-(butan-2-ylamino)phenyl]butanamide

C14H22N2O — CID 112980445

IUPACN-[4-(butan-2-ylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(C)CC)cc1
InChIInChI=1S/C14H22N2O/c1-4-6-14(17)16-13-9-7-12(8-10-13)15-11(3)5-2/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyDLOSETCOMTYZCM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.64
Rot. Bonds6

About N-[4-(butan-2-ylamino)phenyl]butanamide

N-[4-(butan-2-ylamino)phenyl]butanamide (PubChem CID 112980445) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]butanamide
PubChem CID112980445
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[4-(butan-2-ylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(C)CC)cc1
InChIInChI=1S/C14H22N2O/c1-4-6-14(17)16-13-9-7-12(8-10-13)15-11(3)5-2/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyDLOSETCOMTYZCM-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]butanamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]butanamide (CID 112980445) is N-[4-(butan-2-ylamino)phenyl]butanamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]butanamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]butanamide is CCCC(=O)Nc1ccc(NC(C)CC)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]butanamide?
The InChIKey is DLOSETCOMTYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-14(17)16-13-9-7-12(8-10-13)15-11(3)5-2/h7-11,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]butanamide?
N-[4-(butan-2-ylamino)phenyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]butanamide is sourced from PubChem (CID 112980445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).