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

C16H32N2O — CID 115756514

IUPACN-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
SMILESCC(C)NC(=O)CCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)14-6-5-7-15(9-8-14)17-11-10-16(19)18-13(3)4/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyKZXIMZVGKGIPLI-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds6

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

N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide (PubChem CID 115756514) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
PubChem CID115756514
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
SMILESCC(C)NC(=O)CCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)14-6-5-7-15(9-8-14)17-11-10-16(19)18-13(3)4/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyKZXIMZVGKGIPLI-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 112559573

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide (CID 115756514) is N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide is CC(C)NC(=O)CCNC1CCCC(C(C)C)CC1.
What is the InChIKey of N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide?
The InChIKey is KZXIMZVGKGIPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)14-6-5-7-15(9-8-14)17-11-10-16(19)18-13(3)4/h12-15,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide?
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide is sourced from PubChem (CID 115756514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).