N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide

C11H22N2O2 — CID 115706423

IUPACN-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
SMILESCOC(C)C(C)NCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O2/c1-8(9(2)15-3)12-6-7-13-11(14)10-4-5-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyLARQZJAHSVUYDZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds7

About N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide

N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115706423) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
PubChem CID115706423
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
SMILESCOC(C)C(C)NCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O2/c1-8(9(2)15-3)12-6-7-13-11(14)10-4-5-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyLARQZJAHSVUYDZ-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
CID 115769747
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide (CID 115706423) is N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide is COC(C)C(C)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is LARQZJAHSVUYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(9(2)15-3)12-6-7-13-11(14)10-4-5-10/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).