N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide

C12H24N2O3 — CID 79192929

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCC(C)O
InChIInChI=1S/C12H24N2O3/c1-4-9(2)14-12(17)7-8-13-11(16)6-5-10(3)15/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyMYMVJPHXCREBLC-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.57
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide (PubChem CID 79192929) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
PubChem CID79192929
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCC(C)O
InChIInChI=1S/C12H24N2O3/c1-4-9(2)14-12(17)7-8-13-11(16)6-5-10(3)15/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyMYMVJPHXCREBLC-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
CID 110979277
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide (CID 79192929) is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide is CCC(C)NC(=O)CCNC(=O)CCC(C)O.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide?
The InChIKey is MYMVJPHXCREBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-9(2)14-12(17)7-8-13-11(16)6-5-10(3)15/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.57, 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]-4-hydroxypentanamide is sourced from PubChem (CID 79192929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).