N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide

C23H27N3O3 — CID 119048953

IUPACN-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide
SMILESCOc1ccc2c(c1NC(=O)Nc1ccc(CN(C(C)=O)C3CC3)cc1)CCC2
InChIInChI=1S/C23H27N3O3/c1-15(27)26(19-11-12-19)14-16-6-9-18(10-7-16)24-23(28)25-22-20-5-3-4-17(20)8-13-21(22)29-2/h6-10,13,19H,3-5,11-12,14H2,1-2H3,(H2,24,25,28)
InChIKeyPQEVOFVXSAITJB-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide

N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide (PubChem CID 119048953) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide
PubChem CID119048953
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide
SMILESCOc1ccc2c(c1NC(=O)Nc1ccc(CN(C(C)=O)C3CC3)cc1)CCC2
InChIInChI=1S/C23H27N3O3/c1-15(27)26(19-11-12-19)14-16-6-9-18(10-7-16)24-23(28)25-22-20-5-3-4-17(20)8-13-21(22)29-2/h6-10,13,19H,3-5,11-12,14H2,1-2H3,(H2,24,25,28)
InChIKeyPQEVOFVXSAITJB-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide with MolForge

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Related Compounds

4-[[[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]carbamoylamino]methyl]benzoic acid
CID 122085075
1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methylurea
CID 124739343
2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 147285912
3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea
CID 124729741
(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
CID 119328523
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119792412
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide
CID 138989358
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
CID 91644095
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
CID 20982029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide (CID 119048953) is N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide is COc1ccc2c(c1NC(=O)Nc1ccc(CN(C(C)=O)C3CC3)cc1)CCC2.
What is the InChIKey of N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide?
The InChIKey is PQEVOFVXSAITJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(27)26(19-11-12-19)14-16-6-9-18(10-7-16)24-23(28)25-22-20-5-3-4-17(20)8-13-21(22)29-2/h6-10,13,19H,3-5,11-12,14H2,1-2H3,(H2,24,25,28).
What are the key properties of N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide?
N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)carbamoylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 119048953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).