N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide

C13H26N2O2 — CID 62522420

IUPACN-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
SMILESCCC(C)NC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-11(2)15-12(17)9-14-13(10-16)7-5-4-6-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyAHNLANHIYSZAOM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.19
Rot. Bonds6

About N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide

N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide (PubChem CID 62522420) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
PubChem CID62522420
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
SMILESCCC(C)NC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-11(2)15-12(17)9-14-13(10-16)7-5-4-6-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyAHNLANHIYSZAOM-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
CID 113233848
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
CID 62522217
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2-methoxyethyl)acetamide
CID 62518640
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide (CID 62522420) is N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide is CCC(C)NC(=O)CNC1(CO)CCCCC1.
What is the InChIKey of N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide?
The InChIKey is AHNLANHIYSZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-11(2)15-12(17)9-14-13(10-16)7-5-4-6-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide?
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 62522420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).