N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide

C20H26N2O3 — CID 95635301

IUPACN-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C20H26N2O3/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(25)12-13-21-18(23)10-11-19(21)24/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m0/s1
InChIKeyKYZIVLHKCQERHR-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.92
Rot. Bonds7

About N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide

N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 95635301) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID95635301
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C20H26N2O3/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(25)12-13-21-18(23)10-11-19(21)24/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m0/s1
InChIKeyKYZIVLHKCQERHR-HNNXBMFYSA-N
XLogP2.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422
N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 10271032
N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 161150903
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
benzyl 3-[[1-phenylethyl(propanoyl)amino]methyl]piperidine-1-carboxylate
CID 59807157
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
CID 95159896

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 95635301) is N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide is C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is KYZIVLHKCQERHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(25)12-13-21-18(23)10-11-19(21)24/h2-4,8-9,15-16H,5-7,10-14H2,1H3/t15-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide?
N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 95635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).