2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide

C14H28N2O2 — CID 77056764

IUPAC2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(17)16-10-14(18)8-6-4-5-7-9-14/h11,18H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyAEXQNKGEODFUSF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide

2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide (PubChem CID 77056764) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
PubChem CID77056764
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(17)16-10-14(18)8-6-4-5-7-9-14/h11,18H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyAEXQNKGEODFUSF-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide (CID 77056764) is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is AEXQNKGEODFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(17)16-10-14(18)8-6-4-5-7-9-14/h11,18H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide?
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 77056764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).