2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C12H26N2O2 — CID 62521063

IUPAC2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(C)NCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C12H26N2O2/c1-5-10(4)13-8-11(16)14-12(6-2,7-3)9-15/h10,13,15H,5-9H2,1-4H3,(H,14,16)
InChIKeySCOMYQFIBSVAQD-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds8

About 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62521063) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62521063
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(C)NCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C12H26N2O2/c1-5-10(4)13-8-11(16)14-12(6-2,7-3)9-15/h10,13,15H,5-9H2,1-4H3,(H,14,16)
InChIKeySCOMYQFIBSVAQD-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
CID 62520694
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261786
N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
CID 79278740
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62521063) is 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(C)NCC(=O)NC(CC)(CC)CO.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is SCOMYQFIBSVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(4)13-8-11(16)14-12(6-2,7-3)9-15/h10,13,15H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62521063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).