N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

C24H32N2O2 — CID 32576772

IUPACN-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCCNC(=O)C(C)(C)C)c2ccccc2)cc1C
InChIInChI=1S/C24H32N2O2/c1-17-13-14-20(16-18(17)2)22(19-10-7-6-8-11-19)26-21(27)12-9-15-25-23(28)24(3,4)5/h6-8,10-11,13-14,16,22H,9,12,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyJFEHRLJLKJOCFX-JOCHJYFZSA-N
MW380.53 g/mol
LogP4.45
Rot. Bonds7

About N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 32576772) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID32576772
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCCNC(=O)C(C)(C)C)c2ccccc2)cc1C
InChIInChI=1S/C24H32N2O2/c1-17-13-14-20(16-18(17)2)22(19-10-7-6-8-11-19)26-21(27)12-9-15-25-23(28)24(3,4)5/h6-8,10-11,13-14,16,22H,9,12,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyJFEHRLJLKJOCFX-JOCHJYFZSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55675013
N-[4-[[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 75867748
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
(3S)-3-(carbamoylamino)-N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-phenylpropanamide
CID 32576695
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 32576772) is N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is Cc1ccc([C@H](NC(=O)CCCNC(=O)C(C)(C)C)c2ccccc2)cc1C.
What is the InChIKey of N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is JFEHRLJLKJOCFX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17-13-14-20(16-18(17)2)22(19-10-7-6-8-11-19)26-21(27)12-9-15-25-23(28)24(3,4)5/h6-8,10-11,13-14,16,22H,9,12,15H2,1-5H3,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 380.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 32576772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).