N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide

C14H22N2O — CID 60853234

IUPACN-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CNC(=O)CCNC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-8-14(17)16-10-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyJWZWEMRMVQMVQM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.00
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60853234) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID60853234
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CNC(=O)CCNC(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-8-14(17)16-10-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyJWZWEMRMVQMVQM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[(4-methylphenyl)methyl]butanamide
CID 835678
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide (CID 60853234) is N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide is Cc1ccc(CNC(=O)CCNC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is JWZWEMRMVQMVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)15-9-8-14(17)16-10-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).