N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide

C16H26N2O — CID 119588043

IUPACN-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)16(19)18-15(11-17)10-12(2)3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19)
InChIKeyDGCIXLUCBJLRMV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide

N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide (PubChem CID 119588043) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
PubChem CID119588043
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)16(19)18-15(11-17)10-12(2)3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19)
InChIKeyDGCIXLUCBJLRMV-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
CID 119587508
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119586018
N-(1-amino-4-methylpentan-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119586982
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide (CID 119588043) is N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide is CCCc1ccc(C(=O)NC(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide?
The InChIKey is DGCIXLUCBJLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)16(19)18-15(11-17)10-12(2)3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide?
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide is sourced from PubChem (CID 119588043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).