2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide

C14H30N2O2 — CID 112548702

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN(C)C(C)CO
InChIInChI=1S/C14H30N2O2/c1-11(2)7-6-8-12(3)15-14(18)9-16(5)13(4)10-17/h11-13,17H,6-10H2,1-5H3,(H,15,18)
InChIKeySJWZDLABGWYQJY-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds9

About 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 112548702) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
PubChem CID112548702
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN(C)C(C)CO
InChIInChI=1S/C14H30N2O2/c1-11(2)7-6-8-12(3)15-14(18)9-16(5)13(4)10-17/h11-13,17H,6-10H2,1-5H3,(H,15,18)
InChIKeySJWZDLABGWYQJY-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60670456
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
N-(6-methylheptan-2-yl)butanamide
CID 60644759
3-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62852413
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide (CID 112548702) is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)CN(C)C(C)CO.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is SJWZDLABGWYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(2)7-6-8-12(3)15-14(18)9-16(5)13(4)10-17/h11-13,17H,6-10H2,1-5H3,(H,15,18).
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide?
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 258.41 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 112548702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).