N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide

C16H24N2O — CID 61313757

IUPACN-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)18-11-10-17-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyWLKUYHMKFCCLQP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds7

About N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide

N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide (PubChem CID 61313757) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
PubChem CID61313757
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)18-11-10-17-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyWLKUYHMKFCCLQP-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
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-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 115576034
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
CID 112806598
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide (CID 61313757) is N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is WLKUYHMKFCCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(19)18-11-10-17-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 61313757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).