4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride

C12H26ClN3O2 — CID 120560806

IUPAC4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CCC(C)N.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-4-10(3)15-12(17)7-8-14-11(16)6-5-9(2)13;/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyYFMVIMHNUJXQGG-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.96
Rot. Bonds8

About 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride

4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride (PubChem CID 120560806) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
PubChem CID120560806
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC Name4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CCC(C)N.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-4-10(3)15-12(17)7-8-14-11(16)6-5-9(2)13;/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyYFMVIMHNUJXQGG-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
(4R)-4-amino-N-propylpentanamide
CID 146234117
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737569
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride (CID 120560806) is 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride?
The InChIKey is YFMVIMHNUJXQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-4-10(3)15-12(17)7-8-14-11(16)6-5-9(2)13;/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17);1H.
What are the key properties of 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride?
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).