N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C14H27N3O2 — CID 119641529

IUPACN-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCCC(N)(CC)CNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-3-14(15,4-2)10-17-12(18)6-5-9-16-13(19)11-7-8-11/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyULGWUSSZYNAWOC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.93
Rot. Bonds9

About N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 119641529) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID119641529
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCCC(N)(CC)CNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-3-14(15,4-2)10-17-12(18)6-5-9-16-13(19)11-7-8-11/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyULGWUSSZYNAWOC-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 119641529) is N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide is CCC(N)(CC)CNC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is ULGWUSSZYNAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-14(15,4-2)10-17-12(18)6-5-9-16-13(19)11-7-8-11/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 119641529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).