(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide

C15H24N2O2 — CID 124858946

IUPAC(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide
SMILESC[C@H](CC(=O)NC[C@@H]1CCCC[C@H]1O)n1cccc1
InChIInChI=1S/C15H24N2O2/c1-12(17-8-4-5-9-17)10-15(19)16-11-13-6-2-3-7-14(13)18/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3,(H,16,19)/t12-,13+,14-/m1/s1
InChIKeySSNHQMSAOQDMMU-HZSPNIEDSA-N
MW264.37 g/mol
LogP2.11
Rot. Bonds5

About (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide

(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide (PubChem CID 124858946) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide
PubChem CID124858946
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide
SMILESC[C@H](CC(=O)NC[C@@H]1CCCC[C@H]1O)n1cccc1
InChIInChI=1S/C15H24N2O2/c1-12(17-8-4-5-9-17)10-15(19)16-11-13-6-2-3-7-14(13)18/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3,(H,16,19)/t12-,13+,14-/m1/s1
InChIKeySSNHQMSAOQDMMU-HZSPNIEDSA-N
XLogP2.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-pyrrol-1-ylbutanamide
CID 102554678
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
CID 64927127
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide?
The IUPAC name of (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide (CID 124858946) is (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide?
The canonical SMILES for (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide is C[C@H](CC(=O)NC[C@@H]1CCCC[C@H]1O)n1cccc1.
What is the InChIKey of (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide?
The InChIKey is SSNHQMSAOQDMMU-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(17-8-4-5-9-17)10-15(19)16-11-13-6-2-3-7-14(13)18/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3,(H,16,19)/t12-,13+,14-/m1/s1.
What are the key properties of (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide?
(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide is sourced from PubChem (CID 124858946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).