N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide

C15H31N3O2 — CID 57257401

IUPACN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-18(2)11-15(20)17-9-8-14(19)13(16)10-12-6-4-3-5-7-12/h12-14,19H,3-11,16H2,1-2H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyKYUVDRLBWKBUGY-KBPBESRZSA-N
MW285.43 g/mol
LogP0.71
Rot. Bonds8

About N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide

N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide (PubChem CID 57257401) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide
PubChem CID57257401
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H31N3O2/c1-18(2)11-15(20)17-9-8-14(19)13(16)10-12-6-4-3-5-7-12/h12-14,19H,3-11,16H2,1-2H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyKYUVDRLBWKBUGY-KBPBESRZSA-N
XLogP0.71
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide (CID 57257401) is N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide?
The InChIKey is KYUVDRLBWKBUGY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-18(2)11-15(20)17-9-8-14(19)13(16)10-12-6-4-3-5-7-12/h12-14,19H,3-11,16H2,1-2H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide?
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 57257401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).