N-butan-2-yl-3-(diethylcarbamoylamino)propanamide

C12H25N3O2 — CID 115589357

IUPACN-butan-2-yl-3-(diethylcarbamoylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)N(CC)CC
InChIInChI=1S/C12H25N3O2/c1-5-10(4)14-11(16)8-9-13-12(17)15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyUHAZJYJALPTIPN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.34
Rot. Bonds7

About N-butan-2-yl-3-(diethylcarbamoylamino)propanamide

N-butan-2-yl-3-(diethylcarbamoylamino)propanamide (PubChem CID 115589357) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-butan-2-yl-3-(diethylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(diethylcarbamoylamino)propanamide
PubChem CID115589357
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-butan-2-yl-3-(diethylcarbamoylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)N(CC)CC
InChIInChI=1S/C12H25N3O2/c1-5-10(4)14-11(16)8-9-13-12(17)15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyUHAZJYJALPTIPN-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
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
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
CID 55913084
(E)-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 54900855
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(diethylcarbamoylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(diethylcarbamoylamino)propanamide (CID 115589357) is N-butan-2-yl-3-(diethylcarbamoylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(diethylcarbamoylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(diethylcarbamoylamino)propanamide is CCC(C)NC(=O)CCNC(=O)N(CC)CC.
What is the InChIKey of N-butan-2-yl-3-(diethylcarbamoylamino)propanamide?
The InChIKey is UHAZJYJALPTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-10(4)14-11(16)8-9-13-12(17)15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,17)(H,14,16).
What are the key properties of N-butan-2-yl-3-(diethylcarbamoylamino)propanamide?
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(diethylcarbamoylamino)propanamide is sourced from PubChem (CID 115589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).