N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride

C13H26ClN3O2 — CID 119737602

IUPACN-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)6-8-15-13(18)9-11-5-4-7-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyJSHROCADECPLNQ-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.97
Rot. Bonds7

About N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride

N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride (PubChem CID 119737602) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
PubChem CID119737602
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)6-8-15-13(18)9-11-5-4-7-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyJSHROCADECPLNQ-UHFFFAOYSA-N
XLogP0.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61366260
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride (CID 119737602) is N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride?
The InChIKey is JSHROCADECPLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)6-8-15-13(18)9-11-5-4-7-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride?
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119737602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).