N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C19H25N3O3 — CID 97135656

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(C)(CC1Cc2ccccc2C1)NC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C19H25N3O3/c1-19(2,11-12-9-13-5-3-4-6-14(13)10-12)22-16(23)8-7-15-17(24)21-18(25)20-15/h3-6,12,15H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24,25)/t15-/m0/s1
InChIKeyKIXNNPXLUFJPFD-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.67
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 97135656) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID97135656
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(C)(CC1Cc2ccccc2C1)NC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C19H25N3O3/c1-19(2,11-12-9-13-5-3-4-6-14(13)10-12)22-16(23)8-7-15-17(24)21-18(25)20-15/h3-6,12,15H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24,25)/t15-/m0/s1
InChIKeyKIXNNPXLUFJPFD-HNNXBMFYSA-N
XLogP1.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 97135656) is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is CC(C)(CC1Cc2ccccc2C1)NC(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is KIXNNPXLUFJPFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,11-12-9-13-5-3-4-6-14(13)10-12)22-16(23)8-7-15-17(24)21-18(25)20-15/h3-6,12,15H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24,25)/t15-/m0/s1.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 97135656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).