N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide

C13H27N3O2 — CID 62836284

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-6-10(3)16-11(17)8-9-14-12(18)13(4,5)15-7-2/h10,15H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyZZNJACKRZGUYEW-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.80
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62836284) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62836284
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-6-10(3)16-11(17)8-9-14-12(18)13(4,5)15-7-2/h10,15H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyZZNJACKRZGUYEW-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 63958213
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide (CID 62836284) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NCCC(=O)NC(C)CC.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is ZZNJACKRZGUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-10(3)16-11(17)8-9-14-12(18)13(4,5)15-7-2/h10,15H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62836284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).