N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide

C13H26N2O — CID 61022080

IUPACN-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)C1(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-10(2)15-12(16)6-9-14-11(3)13(4)7-8-13/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyVJLMPZYPELZYNI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds7

About N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide

N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide (PubChem CID 61022080) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
PubChem CID61022080
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)C1(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-10(2)15-12(16)6-9-14-11(3)13(4)7-8-13/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyVJLMPZYPELZYNI-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
N-butan-2-yl-3-(1-cyclobutylpropan-2-ylamino)propanamide
CID 115713176
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-[2-[1-(1-methylcyclopropyl)ethylamino]ethyl]acetamide
CID 43363271
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119737579
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-[1-(1-methylcyclopropyl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide (CID 61022080) is N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide is CCC(C)NC(=O)CCNC(C)C1(C)CC1.
What is the InChIKey of N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide?
The InChIKey is VJLMPZYPELZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-10(2)15-12(16)6-9-14-11(3)13(4)7-8-13/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide?
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 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-[1-(1-methylcyclopropyl)ethylamino]propanamide is sourced from PubChem (CID 61022080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).