3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide

C16H32N2O — CID 65091127

IUPAC3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-11-18-16(19)10-12-17-15-7-5-6-14(8-9-15)13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyITTTYOATBXKDRJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds7

About 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide

3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide (PubChem CID 65091127) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
PubChem CID65091127
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-11-18-16(19)10-12-17-15-7-5-6-14(8-9-15)13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyITTTYOATBXKDRJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
N-propyl-3-(thian-4-ylamino)propanamide
CID 61060687
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide (CID 65091127) is 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide is CCCNC(=O)CCNC1CCCC(C(C)C)CC1.
What is the InChIKey of 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide?
The InChIKey is ITTTYOATBXKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-11-18-16(19)10-12-17-15-7-5-6-14(8-9-15)13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide?
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide is sourced from PubChem (CID 65091127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).