tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate

C19H29N3O3 — CID 67417456

IUPACtert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)N1CCCC1
InChIInChI=1S/C19H29N3O3/c1-5-22(21-11-6-7-12-21)17(23)16-10-8-9-15(13-16)14-20-18(24)25-19(2,3)4/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,24)
InChIKeyDXQKKMPTTPLUKB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 67417456) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate
PubChem CID67417456
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate
SMILESCCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)N1CCCC1
InChIInChI=1S/C19H29N3O3/c1-5-22(21-11-6-7-12-21)17(23)16-10-8-9-15(13-16)14-20-18(24)25-19(2,3)4/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,24)
InChIKeyDXQKKMPTTPLUKB-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
CID 146187594
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[(2S)-4-[ethyl(pyrrolidin-1-yl)amino]-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69429344
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
tert-butyl N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]carbamate
CID 44817757
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate (CID 67417456) is tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate is CCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)N1CCCC1.
What is the InChIKey of tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is DXQKKMPTTPLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-22(21-11-6-7-12-21)17(23)16-10-8-9-15(13-16)14-20-18(24)25-19(2,3)4/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 67417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).