4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide

C18H28N2O — CID 120559362

IUPAC4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-7-5-15(6-8-16)12-20(17-9-10-17)18(21)11-4-14(3)19/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyDPIYMSQIYSZHLU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.43
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide

4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide (PubChem CID 120559362) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
PubChem CID120559362
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-7-5-15(6-8-16)12-20(17-9-10-17)18(21)11-4-14(3)19/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyDPIYMSQIYSZHLU-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813388
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 40716364
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
4-amino-N-[(2-chlorophenyl)methyl]-N-cyclopentylpentanamide;hydrochloride
CID 120562365

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide (CID 120559362) is 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide is CC(N)CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The InChIKey is DPIYMSQIYSZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16-7-5-15(6-8-16)12-20(17-9-10-17)18(21)11-4-14(3)19/h5-8,13-14,17H,4,9-12,19H2,1-3H3.
What are the key properties of 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide is sourced from PubChem (CID 120559362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).