N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

C22H34N4O3 — CID 43067548

IUPACN-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCN(CC)C(CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1
InChIInChI=1S/C22H34N4O3/c1-5-25(6-2)18(15-17-11-8-7-9-12-17)16-23-19(27)13-10-14-26-20(28)22(3,4)24-21(26)29/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3,(H,23,27)(H,24,29)
InChIKeyGNVBQWXTGGKJHR-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.17
Rot. Bonds11

About N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 43067548) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID43067548
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCN(CC)C(CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1
InChIInChI=1S/C22H34N4O3/c1-5-25(6-2)18(15-17-11-8-7-9-12-17)16-23-19(27)13-10-14-26-20(28)22(3,4)24-21(26)29/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3,(H,23,27)(H,24,29)
InChIKeyGNVBQWXTGGKJHR-UHFFFAOYSA-N
XLogP2.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 24515994
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78868297
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
CID 24516173
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067524
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 24569099

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 43067548) is N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is CCN(CC)C(CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is GNVBQWXTGGKJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-5-25(6-2)18(15-17-11-8-7-9-12-17)16-23-19(27)13-10-14-26-20(28)22(3,4)24-21(26)29/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3,(H,23,27)(H,24,29).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 402.54 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 43067548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).