N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide

C24H41N3O2 — CID 156842456

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCC(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H41N3O2/c1-17(2)14-20(22(29)25-15-21(28)26-24(6,7)8)27(9)16-18-10-12-19(13-11-18)23(3,4)5/h10-13,17,20H,14-16H2,1-9H3,(H,25,29)(H,26,28)
InChIKeyQVHHENGVWIVRBU-UHFFFAOYSA-N
MW403.61 g/mol
LogP3.86
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide (PubChem CID 156842456) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
PubChem CID156842456
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCC(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H41N3O2/c1-17(2)14-20(22(29)25-15-21(28)26-24(6,7)8)27(9)16-18-10-12-19(13-11-18)23(3,4)5/h10-13,17,20H,14-16H2,1-9H3,(H,25,29)(H,26,28)
InChIKeyQVHHENGVWIVRBU-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(benzylamino)phenyl]-1-(tert-butylamino)-1-oxopropan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
CID 54142002
(2S)-N-[(2S)-3-[4-(benzylamino)phenyl]-1-(tert-butylamino)-1-oxopropan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
CID 70298126
(2S)-2-[(4-tert-butylphenyl)methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9042651
(2R)-N-[(2S)-1-[2-(benzylamino)ethylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
CID 57090919
N-tert-butyl-2-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111299997
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
N-tert-butyl-2-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111299996
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435
(2S)-2-[(4-bromophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70068903
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
4-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]pentanoic acid
CID 70068790
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide (CID 156842456) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide is CC(C)CC(C(=O)NCC(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide?
The InChIKey is QVHHENGVWIVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-17(2)14-20(22(29)25-15-21(28)26-24(6,7)8)27(9)16-18-10-12-19(13-11-18)23(3,4)5/h10-13,17,20H,14-16H2,1-9H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide has a molecular weight of 403.61 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide is sourced from PubChem (CID 156842456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).