3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide

C22H36N4O2 — CID 47029153

IUPAC3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C(C)C)N2CCC(C)CC2)NC(N)=O)c1
InChIInChI=1S/C22H36N4O2/c1-15(2)20(26-10-8-16(3)9-11-26)14-24-21(27)13-19(25-22(23)28)18-7-5-6-17(4)12-18/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3,(H,24,27)(H3,23,25,28)
InChIKeyCRYHSAYBFZVBFN-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.97
Rot. Bonds8

About 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide

3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide (PubChem CID 47029153) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide
PubChem CID47029153
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C(C)C)N2CCC(C)CC2)NC(N)=O)c1
InChIInChI=1S/C22H36N4O2/c1-15(2)20(26-10-8-16(3)9-11-26)14-24-21(27)13-19(25-22(23)28)18-7-5-6-17(4)12-18/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3,(H,24,27)(H3,23,25,28)
InChIKeyCRYHSAYBFZVBFN-UHFFFAOYSA-N
XLogP2.97
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832790
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
(3S)-3-(carbamoylamino)-3-(3-methylphenyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218612
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
CID 95134091
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
3-(methoxymethyl)-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 51941744
[(1R)-1-(3-bromophenyl)-3-[(4R)-4-methylazepan-1-yl]-3-oxopropyl]urea
CID 95021250
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide (CID 47029153) is 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide is Cc1cccc(C(CC(=O)NCC(C(C)C)N2CCC(C)CC2)NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide?
The InChIKey is CRYHSAYBFZVBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-15(2)20(26-10-8-16(3)9-11-26)14-24-21(27)13-19(25-22(23)28)18-7-5-6-17(4)12-18/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3,(H,24,27)(H3,23,25,28).
What are the key properties of 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide?
3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide has a molecular weight of 388.56 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 47029153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).