N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide

C18H28N2O — CID 114458464

IUPACN-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
SMILESNC(CCNC(=O)CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c19-17(16-10-6-3-7-11-16)12-13-20-18(21)14-15-8-4-1-2-5-9-15/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14,19H2,(H,20,21)
InChIKeyYTPWAFFSALSDMK-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.55
Rot. Bonds6

About N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide

N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide (PubChem CID 114458464) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
PubChem CID114458464
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
SMILESNC(CCNC(=O)CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c19-17(16-10-6-3-7-11-16)12-13-20-18(21)14-15-8-4-1-2-5-9-15/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14,19H2,(H,20,21)
InChIKeyYTPWAFFSALSDMK-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635
N-(3-amino-3-phenylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557357
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide (CID 114458464) is N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide is NC(CCNC(=O)CC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide?
The InChIKey is YTPWAFFSALSDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-17(16-10-6-3-7-11-16)12-13-20-18(21)14-15-8-4-1-2-5-9-15/h3,6-7,10-11,15,17H,1-2,4-5,8-9,12-14,19H2,(H,20,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide?
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide has a molecular weight of 288.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114458464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).