2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide

C16H24N2O2 — CID 116694311

IUPAC2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
SMILESCCCOCCC(NC1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-11-20-12-10-16(15(17)19,18-14-8-9-14)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19)
InChIKeyOPBGCMFVUZTASO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds9

About 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide

2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide (PubChem CID 116694311) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
PubChem CID116694311
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
SMILESCCCOCCC(NC1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-11-20-12-10-16(15(17)19,18-14-8-9-14)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19)
InChIKeyOPBGCMFVUZTASO-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
CID 116694565
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957265
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
CID 116693617
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide?
The IUPAC name of 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide (CID 116694311) is 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide is CCCOCCC(NC1CC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide?
The InChIKey is OPBGCMFVUZTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-11-20-12-10-16(15(17)19,18-14-8-9-14)13-6-4-3-5-7-13/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19).
What are the key properties of 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide?
2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide is sourced from PubChem (CID 116694311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).