2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide

C18H28N2O — CID 119802845

IUPAC2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
SMILESCCCC(CCc1ccccc1)NC(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O/c1-2-6-17(12-11-15-7-4-3-5-8-15)20-18(21)14-19-13-16-9-10-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21)
InChIKeyJTNGIJQLQMOAKX-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.90
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide

2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide (PubChem CID 119802845) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
PubChem CID119802845
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
SMILESCCCC(CCc1ccccc1)NC(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O/c1-2-6-17(12-11-15-7-4-3-5-8-15)20-18(21)14-19-13-16-9-10-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21)
InChIKeyJTNGIJQLQMOAKX-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
CID 167903936
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
(Z)-4-oxo-4-(1-phenylhexan-3-ylamino)but-2-enoic acid
CID 102248926
N-(1-phenylhexan-3-yl)cyclopropanamine
CID 115704621
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119772417
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide (CID 119802845) is 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide is CCCC(CCc1ccccc1)NC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide?
The InChIKey is JTNGIJQLQMOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-6-17(12-11-15-7-4-3-5-8-15)20-18(21)14-19-13-16-9-10-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide?
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide has a molecular weight of 288.43 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide is sourced from PubChem (CID 119802845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).