(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide

C15H24N2O2 — CID 146284633

IUPAC(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide
SMILESCN/C(C)=C(\C(=O)NCC1CC1)C1=C(O)CCCC1
InChIInChI=1S/C15H24N2O2/c1-10(16-2)14(12-5-3-4-6-13(12)18)15(19)17-9-11-7-8-11/h11,16,18H,3-9H2,1-2H3,(H,17,19)/b14-10-
InChIKeyVRHXVFCTYJEYFQ-UVTDQMKNSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds5

About (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide

(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide (PubChem CID 146284633) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide
PubChem CID146284633
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide
SMILESCN/C(C)=C(\C(=O)NCC1CC1)C1=C(O)CCCC1
InChIInChI=1S/C15H24N2O2/c1-10(16-2)14(12-5-3-4-6-13(12)18)15(19)17-9-11-7-8-11/h11,16,18H,3-9H2,1-2H3,(H,17,19)/b14-10-
InChIKeyVRHXVFCTYJEYFQ-UVTDQMKNSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2,3-dimethyl-4-[(4-methylcyclohexyl)methylamino]-4-oxobut-2-enoic acid
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2-(azetidin-3-ylidene)-N-[(3-hydroxycyclohexyl)methyl]propanamide
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1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
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(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide (CID 146284633) is (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide is CN/C(C)=C(\C(=O)NCC1CC1)C1=C(O)CCCC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide?
The InChIKey is VRHXVFCTYJEYFQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(16-2)14(12-5-3-4-6-13(12)18)15(19)17-9-11-7-8-11/h11,16,18H,3-9H2,1-2H3,(H,17,19)/b14-10-.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide?
(Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide has a molecular weight of 264.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-(2-hydroxycyclohexen-1-yl)-3-(methylamino)but-2-enamide is sourced from PubChem (CID 146284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).