N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide

C13H27N3O2 — CID 60545815

IUPACN-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-6-10(4)15-12(17)7-8-14-13(18)16-11(5)9(2)3/h9-11H,6-8H2,1-5H3,(H,15,17)(H2,14,16,18)
InChIKeyQIVKYFTTXHPSHL-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.63
Rot. Bonds7

About N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide

N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide (PubChem CID 60545815) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
PubChem CID60545815
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-6-10(4)15-12(17)7-8-14-13(18)16-11(5)9(2)3/h9-11H,6-8H2,1-5H3,(H,15,17)(H2,14,16,18)
InChIKeyQIVKYFTTXHPSHL-UHFFFAOYSA-N
XLogP1.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111002734
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
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-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
(2R)-2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910188
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide (CID 60545815) is N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide is CCC(C)NC(=O)CCNC(=O)NC(C)C(C)C.
What is the InChIKey of N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide?
The InChIKey is QIVKYFTTXHPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-10(4)15-12(17)7-8-14-13(18)16-11(5)9(2)3/h9-11H,6-8H2,1-5H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide?
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 60545815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).