N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide

C21H33N4O3+ — CID 9328554

IUPACN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C21H32N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,26)(H2,22,24,27)/p+1
InChIKeyLJPVVWIHYKHYMN-UHFFFAOYSA-O
MW389.52 g/mol
LogP0.93
Rot. Bonds7

About N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide

N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 9328554) has the molecular formula C21H33N4O3+ and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide
PubChem CID9328554
Molecular FormulaC21H33N4O3+
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C21H32N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,26)(H2,22,24,27)/p+1
InChIKeyLJPVVWIHYKHYMN-UHFFFAOYSA-O
XLogP0.93
TPSA83.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide
CID 8926567
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea
CID 8683527
2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 3532070
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 9451759
N-benzyl-3-morpholin-4-ium-4-ylpropanamide
CID 2219773
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2481504
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]butanamide
CID 9112477

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide (CID 9328554) is N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide is O=C(CCNC(=O)Nc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is LJPVVWIHYKHYMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H32N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,26)(H2,22,24,27)/p+1.
What are the key properties of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide?
N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 389.52 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 9328554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).