N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

C13H26N2O2 — CID 111110024

IUPACN-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)NCC1CCC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)15(8-11(3)16)9-13(17)14-7-12-5-4-6-12/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyXFMQHHHQPFSRMS-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds7

About N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 111110024) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID111110024
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)NCC1CCC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)15(8-11(3)16)9-13(17)14-7-12-5-4-6-12/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyXFMQHHHQPFSRMS-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
2-[1-aminopropan-2-yl(methyl)amino]-N-(cyclobutylmethyl)acetamide;hydrochloride
CID 119924825
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
N-(cyclobutylmethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 111109838
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 94190311
N-(cyclobutylmethyl)-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
CID 86805342
2-[4-aminobutan-2-yl(methyl)amino]-N-(cyclopropylmethyl)acetamide
CID 63225580
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
N-ethyl-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 23588498

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (CID 111110024) is N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide is CC(O)CN(CC(=O)NCC1CCC1)C(C)C.
What is the InChIKey of N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is XFMQHHHQPFSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(8-11(3)16)9-13(17)14-7-12-5-4-6-12/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 111110024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).