N-benzyl-2-(4-tert-butylanilino)propanamide

C20H26N2O — CID 134062813

IUPACN-benzyl-2-(4-tert-butylanilino)propanamide
SMILESCC(Nc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23)
InChIKeyYZDLMDNTEMOMEC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.10
Rot. Bonds5

About N-benzyl-2-(4-tert-butylanilino)propanamide

N-benzyl-2-(4-tert-butylanilino)propanamide (PubChem CID 134062813) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylanilino)propanamide
PubChem CID134062813
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzyl-2-(4-tert-butylanilino)propanamide
SMILESCC(Nc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23)
InChIKeyYZDLMDNTEMOMEC-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
CID 9041047
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-benzylpropanamide
CID 40680582
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylanilino)propanamide?
The IUPAC name of N-benzyl-2-(4-tert-butylanilino)propanamide (CID 134062813) is N-benzyl-2-(4-tert-butylanilino)propanamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylanilino)propanamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylanilino)propanamide is CC(Nc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylanilino)propanamide?
The InChIKey is YZDLMDNTEMOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23).
What are the key properties of N-benzyl-2-(4-tert-butylanilino)propanamide?
N-benzyl-2-(4-tert-butylanilino)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-tert-butylanilino)propanamide is sourced from PubChem (CID 134062813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).