N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

C16H32N2O — CID 54880970

IUPACN-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCCC1CCC(CNC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-7-9-15(10-8-14)12-18-16(19)6-5-11-17-13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyNHNVUNRRGLVMBU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds8

About N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 54880970) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID54880970
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCCC1CCC(CNC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-7-9-15(10-8-14)12-18-16(19)6-5-11-17-13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyNHNVUNRRGLVMBU-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (CID 54880970) is N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is CCC1CCC(CNC(=O)CCCNC(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is NHNVUNRRGLVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-14-7-9-15(10-8-14)12-18-16(19)6-5-11-17-13(2)3/h13-15,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54880970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).