2-(butan-2-ylamino)-N'-cyclopropylbutanediamide

C11H21N3O2 — CID 66431014

IUPAC2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
SMILESCCC(C)NC(CC(=O)NC1CC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-3-7(2)13-9(11(12)16)6-10(15)14-8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyWNFBPXCBIQWEPV-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds7

About 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide

2-(butan-2-ylamino)-N'-cyclopropylbutanediamide (PubChem CID 66431014) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
PubChem CID66431014
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
SMILESCCC(C)NC(CC(=O)NC1CC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-3-7(2)13-9(11(12)16)6-10(15)14-8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyWNFBPXCBIQWEPV-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-2-(propylamino)butanediamide
CID 66430402
ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
CID 66432765
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
N-cyclopropyl-3-methylhexanamide
CID 155359047
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
1-butan-2-yl-3-cyclopropylurea
CID 45366532
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide
CID 70287689
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 115164987

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide?
The IUPAC name of 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide (CID 66431014) is 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide?
The canonical SMILES for 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide is CCC(C)NC(CC(=O)NC1CC1)C(N)=O.
What is the InChIKey of 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide?
The InChIKey is WNFBPXCBIQWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-7(2)13-9(11(12)16)6-10(15)14-8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide?
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N'-cyclopropylbutanediamide is sourced from PubChem (CID 66431014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).