N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide

C12H24N2O — CID 103817602

IUPACN-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC=C(C)C
InChIInChI=1S/C12H24N2O/c1-5-11(4)14-12(15)7-9-13-8-6-10(2)3/h6,11,13H,5,7-9H2,1-4H3,(H,14,15)
InChIKeyPFLUJOYPDJKHNK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds7

About N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide

N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide (PubChem CID 103817602) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
PubChem CID103817602
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC=C(C)C
InChIInChI=1S/C12H24N2O/c1-5-11(4)14-12(15)7-9-13-8-6-10(2)3/h6,11,13H,5,7-9H2,1-4H3,(H,14,15)
InChIKeyPFLUJOYPDJKHNK-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
N-butan-2-yl-4-oxopentanamide
CID 60635035
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide (CID 103817602) is N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide is CCC(C)NC(=O)CCNCC=C(C)C.
What is the InChIKey of N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide?
The InChIKey is PFLUJOYPDJKHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-11(4)14-12(15)7-9-13-8-6-10(2)3/h6,11,13H,5,7-9H2,1-4H3,(H,14,15).
What are the key properties of N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide?
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 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-(3-methylbut-2-enylamino)propanamide is sourced from PubChem (CID 103817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).