N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide

C16H28N2O3 — CID 95906540

IUPACN-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCO[C@@]1(C)C[C@@H](NC(=O)CCCNC(=O)C2CC2)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2)12(10-16(15,3)21-4)18-13(19)6-5-9-17-14(20)11-7-8-11/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,19)/t12-,16+/m1/s1
InChIKeySZKBYDQKWCOIQQ-WBMJQRKESA-N
MW296.41 g/mol
LogP1.61
Rot. Bonds7

About N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 95906540) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID95906540
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCO[C@@]1(C)C[C@@H](NC(=O)CCCNC(=O)C2CC2)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2)12(10-16(15,3)21-4)18-13(19)6-5-9-17-14(20)11-7-8-11/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,19)/t12-,16+/m1/s1
InChIKeySZKBYDQKWCOIQQ-WBMJQRKESA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
CID 119817936
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide
CID 95906524
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 95930538
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97080297

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 95906540) is N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide is CO[C@@]1(C)C[C@@H](NC(=O)CCCNC(=O)C2CC2)C1(C)C.
What is the InChIKey of N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is SZKBYDQKWCOIQQ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)12(10-16(15,3)21-4)18-13(19)6-5-9-17-14(20)11-7-8-11/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,19)/t12-,16+/m1/s1.
What are the key properties of N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 95906540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).