N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide

C18H28N4O3 — CID 118796036

IUPACN-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NCC(O)CN2CCCC2)c1
InChIInChI=1S/C18H28N4O3/c1-3-17(24)20-14-7-6-13(2)16(10-14)21-18(25)19-11-15(23)12-22-8-4-5-9-22/h6-7,10,15,23H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H2,19,21,25)
InChIKeyMFCLTRJMZFTNRA-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.92
Rot. Bonds7

About N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide

N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide (PubChem CID 118796036) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
PubChem CID118796036
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NCC(O)CN2CCCC2)c1
InChIInChI=1S/C18H28N4O3/c1-3-17(24)20-14-7-6-13(2)16(10-14)21-18(25)19-11-15(23)12-22-8-4-5-9-22/h6-7,10,15,23H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H2,19,21,25)
InChIKeyMFCLTRJMZFTNRA-UHFFFAOYSA-N
XLogP1.92
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]carbamoylamino]-4-methylphenyl]propanamide
CID 125176210
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 47041686
1-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125161646
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide (CID 118796036) is N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)NCC(O)CN2CCCC2)c1.
What is the InChIKey of N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide?
The InChIKey is MFCLTRJMZFTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-17(24)20-14-7-6-13(2)16(10-14)21-18(25)19-11-15(23)12-22-8-4-5-9-22/h6-7,10,15,23H,3-5,8-9,11-12H2,1-2H3,(H,20,24)(H2,19,21,25).
What are the key properties of N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide?
N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 118796036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).